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Crinia-angiotensin

CAT: 0013-GTR19223665-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223665-01Size:100 mg
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Description
Crinia-angiotensin is an undecapeptide isolated from the skin of the Australian frog Crinia georgiana, which structurally and functionally mimics Angiotensin II. This peptide is utilized in cardiovascular and endocrine research to study receptor interactions and physiological responses in both in vitro and in vivo experimental models.
CAS Number
72007-47-7
Field of Research
Cardiovascular Research
Smiles
C ([C@H] (CC1=CN=CN1) NC ([C@@H] (NC ([C@H] (CC2=CC=C (O) C=C2) NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC (CNC (=O) [C@H]3N (C ([C@H] (C) N) =O) CCC3) =O) CC (O) =O) =O) CCCNC (=N) N) =O) [C@H] (CC) C) =O) =O) C (C) C) =O) (=O) N4[C@H] (C (N[C@@H] (CC5=CC=CC=C5) C (O) =O) =O) CCC4
Molecular Formula
C60H86N16O15
Molecular Weight
1271.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Crinia-angiotensin

angiotensin II-like undecapeptide from skin of Australian frog Crinia georgiana

CAS Number72007-47-7
PubChem CID194427
IUPAC Name(3S)-3-[[2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC60H86N16O15
Molecular Weight1271.4
XLogP-3
Topological Polar Surface Area483
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count34
Heavy Atom Count91
Formal Charge0
Complexity2660
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2C=NC=N2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](C)N
InChI
InChI=1S/C60H86N16O15/c1-6-33(4)49(74-50(81)39(15-10-22-65-60(62)63)69-51(82)41(28-47(79)80)68-46(78)30-66-53(84)44-16-11-23-75(44)57(88)34(5)61)56(87)70-40(25-36-18-20-38(77)21-19-36)52(83)73-48(32(2)3)55(86)71-42(27-37-29-64-31-67-37)58(89)76-24-12-17-45(76)54(85)72-43(59(90)91)26-35-13-8-7-9-14-35/h7-9,13-14,18-21,29,31-34,37,39-45,48-49,77H,6,10-12,15-17,22-28,30,61H2,1-5H3,(H,66,84)(H,68,78)(H,69,82)(H,70,87)(H,71,86)(H,72,85)(H,73,83)(H,74,81)(H,79,80)(H,90,91)(H4,62,63,65)/t33-,34-,37?,39-,40-,41-,42-,43-,44-,45-,48-,49-/m0/s1
InChIKey
GXYZOEYEQZDXJK-JPGDYHFISA-N
Chemical Structure
2D Structure
2D structure of Crinia-angiotensin
CAS: 72007-47-7
CID: 194427
Formula: C60H86N16O15
MW: 1271.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1271.4
XLogP3-3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count34
Exact Mass1270.64585610
Monoisotopic Mass1270.64585610
Topological Polar Surface Area483 Ų
Heavy Atom Count91
Formal Charge0
Complexity2660
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5780718Crinia-angiotensin
HY-P2623Crinia-angiotensin II
MBS1232052-01Recombinant Crinia georgiana Crinia-angiotensin-2
MBS1138290-01Recombinant Crinia signifera Signiferin-1
MBS1210340-01Recombinant Crinia deserticola Signiferin-1
MBS1025239-01Recombinant Crinia deserticola Deserticolin-1
MBS1126293-01Recombinant Crinia signifera Signiferin-2.1
MBS1070775-01Recombinant Crinia riparia Riparin-1.1
MBS1227738-01Recombinant Crinia riparia Riparin-5.1
MBS1216716-01Recombinant Crinia riparia Riparin-1.6

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